Vitas-M small molecule compound
2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]acetamide
Catalog ID
STK769671
SMILES O=C(CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-])NCCOC12CC3CC(C2)CC(C1)C3
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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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c26-19(12-30-20-23-17-2-1-16(25(27)28)8-18(17)24-20)22-3-4-29-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,26)(H,23,24)InChIKey
QKJOCTKWWAVUHN-UHFFFAOYSA-NSynonyms
2((5nitro1Hbenzimidazol2yl)sulfanyl)N(2(tricyclo(3311~37~)dec1yloxy)ethyl)acetamide
C1C2CC3CC1CC(C2)(C3)OCCNC(=O)CSC4=NC5=C(N4)C=C(C=C5)(N+)(=O)(O)
InChI=1SC21H26N4O4Sc2619(12302023172116(25(27)28)818(17)2420)22342921913514(1021)715(613)1121h1281315H37912H2(H2226)(H2324)
MFCD03409495
N(2(1ADAMANTYLOXY)ETHYL)2((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETAMIDE
N(2ADAMANTANYLOXYETHYL)2(5NITROBENZIMIDAZOL2YLTHIO)ACETAMIDE
O=C(CSc1nc2c((nH)1)ccc(c2)(N+)(=O)(O))NCCOC12CC3CC(C2)CC(C1)C3
ZINC000008659797
ZINC08659797
ZINC8659797
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