Vitas-M small molecule compound
2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Catalog ID
STL108251
SMILES O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)NCCC1=CCCCC1
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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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c30-24(27-13-12-18-6-2-1-3-7-18)16-34-26-28-21-9-5-4-8-20(21)25(31)29(26)15-19-10-11-22-23(14-19)33-17-32-22/h4-6,8-11,14H,1-3,7,12-13,15-17H2,(H,27,30)InChIKey
KROROPXPKMTFLZ-UHFFFAOYSA-NSynonyms
2((3(13benzodioxol5ylmethyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(2(cyclohex1en1yl)ethyl)acetamide
2(3(13BENZODIOXOL5YLMETHYL)4OXOQUINAZOLIN2YL)SULFANYLN(2(CYCLOHEXEN1YL)ETHYL)ACETAMIDE
C1CCC(=CC1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5
InChI=1SC26H27N3O4Sc3024(271312186213718)1634262821954820(21)25(31)29(26)151910112223(1419)33173222h4681114H13712131517H2(H2730)
MFCD05024506
ZINC000002972084
ZINC2972084
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