Vitas-M small molecule compound
N'-{(E)-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]methylidene}-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Catalog ID
STK387742
SMILES COc1cc(/C=N/NC(=O)c2c3CCCCc3sc2n2c(C)ccc2C)c(cc1OCc1ccccc1)Br
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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 C30H30BrN3O3S MW 592.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30BrN3O3S/c1-19-13-14-20(2)34(19)30-28(23-11-7-8-12-27(23)38-30)29(35)33-32-17-22-15-25(36-3)26(16-24(22)31)37-18-21-9-5-4-6-10-21/h4-6,9-10,13-17H,7-8,11-12,18H2,1-3H3,(H,33,35)/b32-17+InChIKey
LAWMZLWTTJILRU-VTNSRFBWSA-NSynonyms
CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NN=CC4=CC(=C(C=C4Br)OCC5=CC=CC=C5)OC)C
COc1cc(C=NNC(=O)c2c3CCCCc3sc2n2c(C)ccc2C)c(cc1OCc1ccccc1)Br
InChI=1SC30H30BrN3O3Sc119131420(2)34(19)3028(2311781227(23)3830)29(35)333217221525(363)26(1624(22)31)37182195461021h469101317H78111218H213H3(H3335)b3217+
MFCD01824752
N((E)(2bromo5methoxy4phenylmethoxyphenyl)methylideneamino)2(25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxamide
N((E)(4(benzyloxy)2bromo5methoxyphenyl)methylidene)2(25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbohydrazide
ZINC000004196435
ZINC100326061
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