Vitas-M small molecule compound

N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan

Catalog ID
STL527367
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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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 C34H43N3O6 MW 589.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O6/c1-20(38)34(42)15-12-27-25-9-8-22-17-23(10-13-32(22,2)26(25)11-14-33(27,34)3)37-43-19-30(39)36-29(31(40)41)16-21-18-35-28-7-5-4-6-24(21)28/h4-7,17-18,25-27,29,35,42H,8-16,19H2,1-3H3,(H,36,39)(H,40,41)/b37-23+/t25?,26?,27?,29?,32-,33-,3
InChIKey
WZGWQGZYNVDWMU-GOXRRJKISA-N
Synonyms

135639256
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2(((E)((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoicacid
InChI=1SC34H43N3O6c120(38)34(42)1512272598221723(101332(222)26(25)111433(2734)3)37431930(39)3629(31(40)41)1621183528754624(21)28h4717182527293542H81619H213H3(H3639)(H4041)b3723+t25?26?27?29?323334m0s1
MFCD03266496
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC001772492315
ZINC001772492318

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Available files

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