Vitas-M small molecule compound
4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK177455
SMILES O=C(c1sc2c(c1Cl)cccc2)OCC#CCSc1sc2c(n1)cccc2
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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 C20H12ClNO2S3 MW 429.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12ClNO2S3/c21-17-13-7-1-3-9-15(13)26-18(17)19(23)24-11-5-6-12-25-20-22-14-8-2-4-10-16(14)27-20/h1-4,7-10H,11-12H2InChIKey
CAORSIGXIXVGMJ-UHFFFAOYSA-NSynonyms
669715-61-14(13BENZOTHIAZOL2YLSULFANYL)BUT2YN1YL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
4(13BENZOTHIAZOL2YLSULFANYL)BUT2YNYL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
4(benzo(d)thiazol2ylthio)but2yn1yl3chlorobenzo(b)thiophene2carboxylate
669715611
C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NC4=CC=CC=C4S3)Cl
InChI=1SC20H12ClNO2S3c211713713915(13)2618(17)19(23)24115612252022148241016(14)2720h14710H1112H2
MFCD03662942
ZINC000002364116
ZINC02364116
ZINC2364116
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