Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STL402273
SMILES N#Cc1c(NC(=O)c2cccc(c2)Cn2ncc(c2)[N+](=O)[O-])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 C26H29N5O3S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O3S/c27-15-23-22-12-7-5-3-1-2-4-6-8-13-24(22)35-26(23)29-25(32)20-11-9-10-19(14-20)17-30-18-21(16-28-30)31(33)34/h9-11,14,16,18H,1-8,12-13,17H2,(H,29,32)InChIKey
FEVJLGSSGMHUJK-UHFFFAOYSA-NSynonyms
512824-83-8512824838
C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)(N+)(=O)(O))C#N
InChI=1SC26H29N5O3Sc2715232212753124681324(22)3526(23)2925(32)201191019(1420)17301821(162830)31(33)34h911141618H18121317H2(H2932)
MFCD03468586
N#Cc1c(NC(=O)c2cccc(c2)Cn2ncc(c2)(N+)(=O)(O))sc2c1CCCCCCCCCC2
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)3((4nitro1Hpyrazol1yl)methyl)benzamide
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)3((4nitropyrazol1yl)methyl)benzamide
ZINC000002735532
ZINC02735532
ZINC2735532
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