Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Catalog ID
STK302041
SMILES N#Cc1c(NC(=O)c2ccc(o2)COc2ccc(cc2[N+](=O)[O-])C)sc2c1CCCCCCCCCC2
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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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-19-12-14-24(23(16-19)31(33)34)35-18-20-13-15-25(36-20)27(32)30-28-22(17-29)21-10-8-6-4-2-3-5-7-9-11-26(21)37-28/h12-16H,2-11,18H2,1H3,(H,30,32)InChIKey
RDOJHZJWEHNCMK-UHFFFAOYSA-NSynonyms
438229-50-6438229506
CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCCCCCCCC4)C#N)(N+)(=O)(O)
InChI=1SC28H31N3O5Sc119121424(23(1619)31(33)34)351820131525(3620)27(32)302822(1729)2110864235791126(21)3728h1216H21118H21H3(H3032)
MFCD03466865
N#Cc1c(NC(=O)c2ccc(o2)COc2ccc(cc2(N+)(=O)(O))C)sc2c1CCCCCCCCCC2
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)5((4methyl2nitrophenoxy)methyl)furan2carboxamide
ZINC000008455624
ZINC08455624
ZINC8455624
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