Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK860239
SMILES C1CCc2c(CC1)c1c(s2)ncn2c1nc(n2)CSc1nc2c(s1)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 C20H17N5S3 MW 423.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5S3/c1-2-6-12-14(8-3-1)27-19-17(12)18-23-16(24-25(18)11-21-19)10-26-20-22-13-7-4-5-9-15(13)28-20/h4-5,7,9,11H,1-3,6,8,10H2InChIKey
APYSLZCPLORORU-UHFFFAOYSA-NSynonyms
375838-05-42((13benzothiazol2ylsulfanyl)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
2((benzo(d)thiazol2ylthio)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
375838054
C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5
InChI=1SC20H17N5S3c1261214(831)271917(12)182316(2425(18)112119)1026202213745915(13)2820h457911H136810H2
MFCD02240821
ZINC000008400587
ZINC08400587
ZINC8400587
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