Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Catalog ID
STK271017
SMILES COc1cc(ccc1OC)C1c2ccc(cc2Oc2c1c1nc(nn1cn2)CSc1nc2c(s1)cccc2)O
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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 C28H21N5O4S2 MW 555.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O4S2/c1-35-19-10-7-15(11-21(19)36-2)24-17-9-8-16(34)12-20(17)37-27-25(24)26-31-23(32-33(26)14-29-27)13-38-28-30-18-5-3-4-6-22(18)39-28/h3-12,14,24,34H,13H2,1-2H3InChIKey
MQJUYGJBNNZASL-UHFFFAOYSA-NSynonyms
2((13benzothiazol2ylsulfanyl)methyl)12(34dimethoxyphenyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin9ol
2((benzo(d)thiazol2ylthio)methyl)12(34dimethoxyphenyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin9ol
COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C5=NC(=NN5C=N4)CSC6=NC7=CC=CC=C7S6)OC
InChI=1SC28H21N5O4S2c1351910715(1121(19)362)24179816(34)1220(17)372725(24)263123(3233(26)142927)1338283018534622(18)3928h312142434H13H212H3
MFCD04178802
ZINC000098000362
ZINC000098000363
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