Vitas-M small molecule compound
3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide
Catalog ID
STK062087
SMILES C=CCn1c(SCCC(=O)NCc2ccc(cc2)OCCC)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C27H33N3O4S2 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O4S2/c1-5-12-30-25(32)23-20-15-27(3,4)34-17-21(20)36-24(23)29-26(30)35-14-11-22(31)28-16-18-7-9-19(10-8-18)33-13-6-2/h5,7-10H,1,6,11-17H2,2-4H3,(H,28,31)InChIKey
YGNLMRCXICRPBN-UHFFFAOYSA-NSynonyms
371937-13-23((3allyl66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)N(4propoxybenzyl)propanamide
3((66dimethyl4oxo3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(4propoxybenzyl)propanamide
3((66dimethyl4oxo3prop2enyl58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)N((4propoxyphenyl)methyl)propanamide
371937132
C=CCn1c(SCCC(=O)NCc2ccc(cc2)OCCC)nc2c(c1=O)c1CC(C)(C)OCc1s2
CCCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CC=C
InChI=1SC27H33N3O4S2c15123025(32)23201527(34)341721(20)3624(23)2926(30)35141122(31)2816187919(10818)331362h5710H161117H224H3(H2831)
MFCD01561045
STK062087
ZINC000013756212
ZINC13756212
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