Vitas-M small molecule compound
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{2-[(4-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Catalog ID
STK676278
SMILES O=C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)c1ccccc1
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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 C30H22N6O3S3 MW 610.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N6O3S3/c37-27(19-40-29-34-33-28(21-7-3-1-4-8-21)35(29)23-9-5-2-6-10-23)31-22-13-16-25-26(17-22)42-30(32-25)41-18-20-11-14-24(15-12-20)36(38)39/h1-17H,18-19H2,(H,31,37)InChIKey
QQEPEUKHYHIKMB-UHFFFAOYSA-NSynonyms
2((45DIPHENYL124TRIAZOL3YL)SULFANYL)N(2((4NITROPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)ACETAMIDE
2((45diphenyl4H124triazol3yl)sulfanyl)N(2((4nitrobenzyl)sulfanyl)13benzothiazol6yl)acetamide
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)N=C(S5)SCC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC30H22N6O3S3c3727(194029343328(217314821)35(29)2395261023)312213162526(1722)4230(3225)411820111424(151220)36(38)39h117H1819H2(H3137)
MFCD01872907
O=C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)c1ccccc1
ZINC000098003525
ZINC98003525
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