Vitas-M small molecule compound
2-[(2Z)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2(3H)-ylidenecarbamoyl]benzoic acid
Catalog ID
STL050951
SMILES OC(=O)c1ccccc1C(=O)/N=c\1/[nH]c2c(s1)CCCCCCCCCC2
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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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c24-19(15-11-9-10-12-16(15)20(25)26)23-21-22-17-13-7-5-3-1-2-4-6-8-14-18(17)27-21/h9-12H,1-8,13-14H2,(H,25,26)(H,22,23,24)InChIKey
VTEMDEMYUQOWDU-UHFFFAOYSA-NSynonyms
714927-53-42((2Z)45678910111213decahydrocyclododeca(d)(13)thiazol2(3H)ylidenecarbamoyl)benzoicacid
2(45678910111213decahydrocyclododeca(d)(13)thiazol2ylcarbamoyl)benzoicacid
714927534
C1CCCCCC2=C(CCCC1)N=C(S2)NC(=O)C3=CC=CC=C3C(=O)O
InChI=1SC21H26N2O3Sc2419(15119101216(15)20(25)26)2321221713753124681418(17)2721h912H181314H2(H2526)(H222324)
MFCD05733897
OC(=O)c1ccccc1C(=O)N=c1(nH)c2c(s1)CCCCCCCCCC2
ZINC000001889371
ZINC1889371
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