Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Catalog ID
STK302088
SMILES N#Cc1c(NC(=O)Cn2nc(c(c2C)[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 C22H29N5O3S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O3S/c1-15-21(27(29)30)16(2)26(25-15)14-20(28)24-22-18(13-23)17-11-9-7-5-3-4-6-8-10-12-19(17)31-22/h3-12,14H2,1-2H3,(H,24,28)InChIKey
XIVTXNQMJZEHSY-UHFFFAOYSA-NSynonyms
494791-16-1494791161
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C#N)C)(N+)(=O)(O)
InChI=1SC22H29N5O3Sc11521(27(29)30)16(2)26(2515)1420(28)242218(1323)17119753468101219(17)3122h31214H212H3(H2428)
MFCD03075324
N#Cc1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCCCCCCCC2
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)2(35dimethyl4nitro1Hpyrazol1yl)acetamide
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)2(35dimethyl4nitropyrazol1yl)acetamide
ZINC000002760723
ZINC02760723
ZINC2760723
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