Vitas-M small molecule compound
(8xi,9xi,14xi,17alpha,19E)-19-(2-carbamoylhydrazinylidene)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Catalog ID
STL528792
SMILES NC(=O)N/N=C/[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H45N3O9 MW 591.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H45N3O9/c1-16-25(36)22(34)12-24(41-16)42-18-3-8-28(15-32-33-26(31)37)20-4-7-27(2)19(17-11-23(35)40-14-17)6-10-30(27,39)21(20)5-9-29(28,38)13-18/h11,15-16,18-22,24-25,34,36,38-39H,3-10,12-14H2,1-2H3,(H3,31,33,37)/b32-15+/t16?,18?,19-,20?,21?,22InChIKey
DRFCSTUSXFRQFI-ABWPENTHSA-NSynonyms
((~(E))((10~(R)13~(R)17~(S))3(45dihydroxy6methyloxan2yl)oxy514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren10yl)methylideneamino)urea
(8xi9xi14xi17alpha19E)19(2carbamoylhydrazinylidene)3((26dideoxyhexopyranosyl)oxy)514dihydroxycard20(22)enolide
(E)2(((3S5S8R9S10R13R14S17R)3(((2R4S5S6R)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren10yl)methylene)hydrazinecarboxamide
44661896
InChI=1SC30H45N3O9c11625(36)22(34)1224(4116)42183828(15323326(31)37)204727(2)19(171123(35)401417)61030(2739)21(20)5929(2838)1318h1115161822242534363839H3101214H212H3(H3313337)b3215+t16?18?1920?21?22?24?25?27+2829?30?m0s1
MFCD05730025
NC(=O)NN=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
ZINC000257360754
ZINC000257360757
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