Vitas-M small molecule compound
3-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-5-yl}-6-hexyl-7-hydroxy-2H-chromen-2-one
Catalog ID
STL286811
SMILES CCCCCCc1cc2cc(c3cnc(s3)N3N=C4C(C3c3ccccc3)CCC/C/4=C\c3ccccc3)c(=O)oc2cc1O
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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 C38H37N3O3S MW 615.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37N3O3S/c1-2-3-4-9-17-27-21-29-22-31(37(43)44-33(29)23-32(27)42)34-24-39-38(45-34)41-36(26-15-10-6-11-16-26)30-19-12-18-28(35(30)40-41)20-25-13-7-5-8-14-25/h5-8,10-11,13-16,20-24,30,36,42H,2-4,9,12,17-19H2,1H3/b28-20+InChIKey
HWZWENZDLZHAKM-VFCFBJKWSA-NSynonyms
3(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)13thiazol5yl)6hexyl7hydroxy2Hchromen2one
3(2((7E)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)13thiazol5yl)6hexyl7hydroxychromen2one
CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN=C(S3)N4C(C5CCCC(=CC6=CC=CC=C6)C5=N4)C7=CC=CC=C7)O
CCCCCCc1cc2cc(c3cnc(s3)N3N=C4C(C3c3ccccc3)CCCC4=Cc3ccccc3)c(=O)oc2cc1O
InChI=1SC38H37N3O3Sc12349172721292231(37(43)4433(29)2332(27)42)34243938(4534)4136(2615106111626)3019121828(35(30)4041)2025137581425h58101113162024303642H249121719H21H3b2820+
MFCD03489633
ZINC000097971256
ZINC000097971259
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