Vitas-M small molecule compound
N-{[5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Catalog ID
STK137894
SMILES C=CCn1c(SCC(=O)Nc2nc3c(s2)cccc3)nnc1CNC(=O)c1ccc(cc1)OC
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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 C23H22N6O3S2 MW 494.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O3S2/c1-3-12-29-19(13-24-21(31)15-8-10-16(32-2)11-9-15)27-28-23(29)33-14-20(30)26-22-25-17-6-4-5-7-18(17)34-22/h3-11H,1,12-14H2,2H3,(H,24,31)(H,25,26,30)InChIKey
XQDMHSOTMCGYFS-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=NC4=CC=CC=C4S3
InChI=1SC23H22N6O3S2c13122919(132421(31)1581016(322)11915)272823(29)331420(30)26222517645718(17)3422h311H11214H22H3(H2431)(H252630)
MFCD04392421
N((5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000009261230
ZINC09261230
ZINC9261230
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